Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'quintini' and Initial = 'g'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331277 (3-(6-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyri...) Show SMILES COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C15H12N4O/c1-20-10-5-4-9-7-13(17-12(9)8-10)15-14-11(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50331277 (3-(6-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyri...) Show SMILES COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C15H12N4O/c1-20-10-5-4-9-7-13(17-12(9)8-10)15-14-11(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of FLT3				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331273 (3-(6-methyl-1H-indol-2-yl)-1H-indazole-6-carbonitr...) Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cc(ccc12)C#N Show InChI InChI=1S/C17H12N4/c1-10-2-4-12-8-16(19-14(12)6-10)17-13-5-3-11(9-18)7-15(13)20-21-17/h2-8,19H,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331280 (3-(6-methyl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyrid...) Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C15H12N4/c1-9-4-5-10-8-13(17-12(10)7-9)15-14-11(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331274 (6-fluoro-3-(6-methoxy-1H-indol-2-yl)-1H-indazole |...) Show SMILES COc1ccc2cc([nH]c2c1)-c1n[nH]c2cc(F)ccc12 Show InChI InChI=1S/C16H12FN3O/c1-21-11-4-2-9-6-15(18-13(9)8-11)16-12-5-3-10(17)7-14(12)19-20-16/h2-8,18H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331268 (3-(1H-indol-2-yl)-1H-indazole-5-carbonitrile | CHE...) Show SMILES N#Cc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C16H10N4/c17-9-10-5-6-14-12(7-10)16(20-19-14)15-8-11-3-1-2-4-13(11)18-15/h1-8,18H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331269 (3-(1H-indol-2-yl)-1H-indazole-6-carbonitrile | CHE...) Show SMILES N#Cc1ccc2c(n[nH]c2c1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C16H10N4/c17-9-10-5-6-12-14(7-10)19-20-16(12)15-8-11-3-1-2-4-13(11)18-15/h1-8,18H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331271 (6-methyl-3-(6-methyl-1H-indol-2-yl)-1H-indazole | ...) Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cc(C)ccc12 Show InChI InChI=1S/C17H15N3/c1-10-3-5-12-9-16(18-14(12)7-10)17-13-6-4-11(2)8-15(13)19-20-17/h3-9,18H,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331262 (3-(6-methyl-1H-indol-2-yl)-1H-indazole | CHEMBL128...) Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C16H13N3/c1-10-6-7-11-9-15(17-14(11)8-10)16-12-4-2-3-5-13(12)18-19-16/h2-9,17H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331258 (3-(5-methoxy-1H-indol-2-yl)-1H-indazole | CHEMBL12...) Show SMILES COc1ccc2[nH]c(cc2c1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C16H13N3O/c1-20-11-6-7-13-10(8-11)9-15(17-13)16-12-4-2-3-5-14(12)18-19-16/h2-9,17H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331259 (3-(6-methoxy-1H-indol-2-yl)-1H-indazole | CHEMBL12...) Show SMILES COc1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C16H13N3O/c1-20-11-7-6-10-8-15(17-14(10)9-11)16-12-4-2-3-5-13(12)18-19-16/h2-9,17H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331272 (6-fluoro-3-(6-methyl-1H-indol-2-yl)-1H-indazole | ...) Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cc(F)ccc12 Show InChI InChI=1S/C16H12FN3/c1-9-2-3-10-7-15(18-13(10)6-9)16-12-5-4-11(17)8-14(12)19-20-16/h2-8,18H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331257 (3-(1H-indol-2-yl)-1H-indazole | CHEMBL1288974) Show SMILES c1c([nH]c2ccccc12)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C15H11N3/c1-3-7-12-10(5-1)9-14(16-12)15-11-6-2-4-8-13(11)17-18-15/h1-9,16H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50320968 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-26-29)13-24-23(30)17-8-7-16-11-21(27-20(16)12-17)22-19(14-25-28-22)15-5-3-2-4-6-15/h2-12,14,27H,13H2,1H3,(H,24,30)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331265 (3-(1H-indol-2-yl)-6-methyl-1H-indazole | CHEMBL128...) Show SMILES Cc1ccc2c(n[nH]c2c1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C16H13N3/c1-10-6-7-12-14(8-10)18-19-16(12)15-9-11-4-2-3-5-13(11)17-15/h2-9,17H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331266 (5-fluoro-3-(1H-indol-2-yl)-1H-indazole | CHEMBL128...) Show SMILES Fc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C15H10FN3/c16-10-5-6-13-11(8-10)15(19-18-13)14-7-9-3-1-2-4-12(9)17-14/h1-8,17H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331267 (6-fluoro-3-(1H-indol-2-yl)-1H-indazole | CHEMBL128...) Show SMILES Fc1ccc2c(n[nH]c2c1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C15H10FN3/c16-10-5-6-11-13(8-10)18-19-15(11)14-7-9-3-1-2-4-12(9)17-14/h1-8,17H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50331277 (3-(6-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyri...) Show SMILES COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C15H12N4O/c1-20-10-5-4-9-7-13(17-12(9)8-10)15-14-11(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of Aurora A				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331275 (3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine | CHE...) Show SMILES c1c([nH]c2ccccc12)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C14H10N4/c1-2-5-10-9(4-1)8-12(16-10)14-13-11(17-18-14)6-3-7-15-13/h1-8,16H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331282 (3-(6-bromo-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridi...) Show SMILES Brc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C14H9BrN4/c15-9-4-3-8-6-12(17-11(8)7-9)14-13-10(18-19-14)2-1-5-16-13/h1-7,17H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331281 (3-(4-bromo-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridi...) Show SMILES Brc1cccc2[nH]c(cc12)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C14H9BrN4/c15-9-3-1-4-10-8(9)7-12(17-10)14-13-11(18-19-14)5-2-6-16-13/h1-7,17H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331264 (3-(1H-indol-2-yl)-5-methyl-1H-indazole | CHEMBL128...) Show SMILES Cc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C16H13N3/c1-10-6-7-14-12(8-10)16(19-18-14)15-9-11-4-2-3-5-13(11)17-15/h2-9,17H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50331277 (3-(6-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyri...) Show SMILES COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C15H12N4O/c1-20-10-5-4-9-7-13(17-12(9)8-10)15-14-11(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of Aurora B				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331276 (3-(5-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyri...) Show SMILES COc1ccc2[nH]c(cc2c1)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C15H12N4O/c1-20-10-4-5-11-9(7-10)8-13(17-11)15-14-12(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331279 (3-(5-methyl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyrid...) Show SMILES Cc1ccc2[nH]c(cc2c1)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C15H12N4/c1-9-4-5-11-10(7-9)8-13(17-11)15-14-12(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331277 (3-(6-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyri...) Show SMILES COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C15H12N4O/c1-20-10-5-4-9-7-13(17-12(9)8-10)15-14-11(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331270 (5-methyl-3-(6-methyl-1H-indol-2-yl)-1H-indazole | ...) Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(C)cc12 Show InChI InChI=1S/C17H15N3/c1-10-4-6-14-13(7-10)17(20-19-14)16-9-12-5-3-11(2)8-15(12)18-16/h3-9,18H,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320969 (CHEMBL1164353 | Phenyl-1H-pyrazol-3-yl)-1H-indole-...) Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50331261 (3-(5-methyl-1H-indol-2-yl)-1H-indazole | CHEMBL128...) Show SMILES Cc1ccc2[nH]c(cc2c1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C16H13N3/c1-10-6-7-13-11(8-10)9-15(17-13)16-12-4-2-3-5-14(12)18-19-16/h2-9,17H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50320970 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(12-26-30-14)11-24-23(29)17-8-7-16-9-21(27-20(16)10-17)22-19(13-25-28-22)15-5-3-2-4-6-15/h2-10,12-13,27H,11H2,1H3,(H,24,29)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320992 (2-(5-Benzyl-1H-pyrazol-3-yl)-3-[(4-fluorobenzylami...) Show SMILES CC(C)CN(C)C(=O)c1ccc2c(CNCc3ccc(F)cc3)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C32H34FN5O/c1-21(2)20-38(3)32(39)24-11-14-27-28(19-34-18-23-9-12-25(33)13-10-23)31(35-29(27)16-24)30-17-26(36-37-30)15-22-7-5-4-6-8-22/h4-14,16-17,21,34-35H,15,18-20H2,1-3H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50320967 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-11-18(29)12-25-23(30)17-8-7-16-9-21(27-20(16)10-17)22-19(13-26-28-22)15-5-3-2-4-6-15/h2-11,13-14,27H,12H2,1H3,(H,25,30)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length GSK3-beta assessed as inhibition of ATP consumption after 60 mins by luminescence assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320979 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H26N4O/c1-16(2)15-28(3)24(29)19-10-9-18-12-22(25-21(18)13-19)23-14-20(26-27-23)11-17-7-5-4-6-8-17/h4-10,12-14,16,25H,11,15H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320978 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-15-25-13-20(30)14-26-24(31)18-8-7-17-10-22(27-21(17)11-18)23-12-19(28-29-23)9-16-5-3-2-4-6-16/h2-8,10-13,15,27H,9,14H2,1H3,(H,26,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320970 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(12-26-30-14)11-24-23(29)17-8-7-16-9-21(27-20(16)10-17)22-19(13-25-28-22)15-5-3-2-4-6-15/h2-10,12-13,27H,11H2,1H3,(H,24,29)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320968 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-26-29)13-24-23(30)17-8-7-16-11-21(27-20(16)12-17)22-19(14-25-28-22)15-5-3-2-4-6-15/h2-12,14,27H,13H2,1H3,(H,24,30)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50320967 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-11-18(29)12-25-23(30)17-8-7-16-9-21(27-20(16)10-17)22-19(13-26-28-22)15-5-3-2-4-6-15/h2-11,13-14,27H,12H2,1H3,(H,25,30)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320994 (2-(5-Benzyl-1H-pyrazol-3-yl)-3-morpholin-4-ylmethy...) Show SMILES Cn1cncc1CNC(=O)c1ccc2c(CN3CCOCC3)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C29H31N7O2/c1-35-19-30-16-23(35)17-31-29(37)21-7-8-24-25(18-36-9-11-38-12-10-36)28(32-26(24)14-21)27-15-22(33-34-27)13-20-5-3-2-4-6-20/h2-8,14-16,19,32H,9-13,17-18H2,1H3,(H,31,37)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320967 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-11-18(29)12-25-23(30)17-8-7-16-9-21(27-20(16)10-17)22-19(13-26-28-22)15-5-3-2-4-6-15/h2-11,13-14,27H,12H2,1H3,(H,25,30)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320991 (2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(24-19(17)12-18)22-13-20(25-26-22)16-7-5-4-6-8-16/h4-13,15,24H,14H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320989 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-20(9-10-26-30)15-25-24(31)18-8-7-17-12-22(27-21(17)13-18)23-14-19(28-29-23)11-16-5-3-2-4-6-16/h2-10,12-14,27H,11,15H2,1H3,(H,25,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320972 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES O=C(NCc1cnccn1)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H18N6O/c30-23(26-13-18-12-24-8-9-25-18)17-7-6-16-10-21(28-20(16)11-17)22-19(14-27-29-22)15-4-2-1-3-5-15/h1-12,14,28H,13H2,(H,26,30)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50320968 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-26-29)13-24-23(30)17-8-7-16-11-21(27-20(16)12-17)22-19(14-25-28-22)15-5-3-2-4-6-15/h2-12,14,27H,13H2,1H3,(H,24,30)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length GSK3-beta assessed as inhibition of ATP consumption after 60 mins by luminescence assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320977 (2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-12-18(29)13-25-23(30)17-8-7-16-9-21(26-19(16)10-17)22-11-20(27-28-22)15-5-3-2-4-6-15/h2-12,14,26H,13H2,1H3,(H,25,30)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50331277 (3-(6-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyri...) Show SMILES COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C15H12N4O/c1-20-10-5-4-9-7-13(17-12(9)8-10)15-14-11(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of SRC				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50331277 (3-(6-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyri...) Show SMILES COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C15H12N4O/c1-20-10-5-4-9-7-13(17-12(9)8-10)15-14-11(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320987 (2-(5-Benzyl-1H-pyrazol-3-yl)-3-hydroxymethyl-1Hind...) Show SMILES Cn1nccc1CNC(=O)c1ccc2c(CO)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C25H24N6O2/c1-31-19(9-10-27-31)14-26-25(33)17-7-8-20-21(15-32)24(28-22(20)12-17)23-13-18(29-30-23)11-16-5-3-2-4-6-16/h2-10,12-13,28,32H,11,14-15H2,1H3,(H,26,33)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320975 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C20H18N4O/c1-21-20(25)15-8-7-14-10-18(22-17(14)11-15)19-12-16(23-24-19)9-13-5-3-2-4-6-13/h2-8,10-12,22H,9H2,1H3,(H,21,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320974 (2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(13-25-30-14)12-24-23(29)17-8-7-16-9-21(26-19(16)10-17)22-11-20(27-28-22)15-5-3-2-4-6-15/h2-11,13,26H,12H2,1H3,(H,24,29)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320971 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc3cc([nH]c3c2)-c2n[nH]cc2-c2ccccc2)cn1 Show InChI InChI=1S/C25H18F3N5O/c26-25(27,28)22-9-6-15(12-29-22)13-30-24(34)18-8-7-17-10-21(32-20(17)11-18)23-19(14-31-33-23)16-4-2-1-3-5-16/h1-12,14,32H,13H2,(H,30,34)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair

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